tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate

C19H39NO6Si — CID 11058585

IUPACtert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39NO6Si/c1-17(2,3)26-16(22)20-13(11-21)15-14(24-19(7,8)25-15)12-23-27(9,10)18(4,5)6/h13-15,21H,11-12H2,1-10H3,(H,20,22)/t13-,14+,15+/m1/s1
InChIKeyJJARHRUNJYYYHI-ILXRZTDVSA-N
MW405.61 g/mol
LogP3.41
Rot. Bonds6

About tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate

tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate (PubChem CID 11058585) has the molecular formula C19H39NO6Si and a molecular weight of 405.61 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate
PubChem CID11058585
Molecular FormulaC19H39NO6Si
Molecular Weight405.61 g/mol
Exact Mass405.25
IUPAC Nametert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39NO6Si/c1-17(2,3)26-16(22)20-13(11-21)15-14(24-19(7,8)25-15)12-23-27(9,10)18(4,5)6/h13-15,21H,11-12H2,1-10H3,(H,20,22)/t13-,14+,15+/m1/s1
InChIKeyJJARHRUNJYYYHI-ILXRZTDVSA-N
XLogP3.41
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.61
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate (CID 11058585) is tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate?
The InChIKey is JJARHRUNJYYYHI-ILXRZTDVSA-N. The full InChI is InChI=1S/C19H39NO6Si/c1-17(2,3)26-16(22)20-13(11-21)15-14(24-19(7,8)25-15)12-23-27(9,10)18(4,5)6/h13-15,21H,11-12H2,1-10H3,(H,20,22)/t13-,14+,15+/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate?
tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate has a molecular weight of 405.61 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 11058585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).